Identita

Beraprost Impurity 60

Neuvedeno · C17H22O5

01Identita

Lazychem ID	LC-46868
CAS RN	Neuvedeno
PubChem CID	10902852
Molecular formula	C17H22O5
Molecular weight	306.4 g/mol
IUPAC name	methyl 4-[(1S,2R,3aS,8bS)-2-hydroxy-1-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoate
InChIKey	ZCFABHGBTREBDS-KNCOVGOOSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Beraprost Impurity 60 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	4
Ring count	3
Secondary amines	0
Tertiary amines	0

SMILES	COC(=O)CCCC1=C2C(=CC=C1)[C@H]3[C@@H](O2)C[C@H]([C@@H]3CO)O
InChI	Neuvedeno

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 16Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.